3HYK
2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0008897 | molecular_function | holo-[acyl-carrier-protein] synthase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0008897 | molecular_function | holo-[acyl-carrier-protein] synthase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0008897 | molecular_function | holo-[acyl-carrier-protein] synthase activity |
| C | 0016740 | molecular_function | transferase activity |
| C | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 120 |
| Chain | Residue |
| A | A3P124 |
| A | HOH335 |
| B | A3P127 |
| B | HOH336 |
| B | HOH337 |
| B | HOH426 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 120 |
| Chain | Residue |
| A | HOH332 |
| B | HOH328 |
| A | HIS103 |
| A | A3P124 |
| A | HOH331 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 121 |
| Chain | Residue |
| A | A3P124 |
| A | HOH329 |
| B | ASP8 |
| B | GLU58 |
| B | HOH330 |
| B | HOH334 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 122 |
| Chain | Residue |
| B | ILE68 |
| B | HOH212 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG A 121 |
| Chain | Residue |
| A | ASP8 |
| A | GLU58 |
| A | HOH293 |
| A | HOH322 |
| C | SER102 |
| C | A3P126 |
| C | HOH303 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 122 |
| Chain | Residue |
| A | ILE68 |
| A | HOH277 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 123 |
| Chain | Residue |
| A | A3P125 |
| A | HOH296 |
| A | HOH301 |
| A | HOH321 |
| C | A3P126 |
| C | HOH302 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG C 120 |
| Chain | Residue |
| B | SER102 |
| B | A3P126 |
| B | HOH312 |
| C | ASP8 |
| C | GLU58 |
| C | HOH290 |
| C | HOH313 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 121 |
| Chain | Residue |
| A | HOH282 |
| C | HIS103 |
| C | A3P126 |
| C | HOH323 |
| C | HOH324 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL C 122 |
| Chain | Residue |
| C | ILE68 |
| C | HOH319 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 123 |
| Chain | Residue |
| B | HIS103 |
| B | A3P126 |
| B | HOH340 |
| B | HOH341 |
| C | HOH339 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 123 |
| Chain | Residue |
| B | A3P126 |
| B | HOH310 |
| B | HOH381 |
| C | A3P125 |
| C | HOH311 |
| C | HOH318 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL B 124 |
| Chain | Residue |
| B | GLU48 |
| B | PHE49 |
| B | GLY52 |
| B | ARG53 |
| B | A3P126 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 124 |
| Chain | Residue |
| C | ILE10 |
| C | GLU11 |
| C | ARG14 |
| C | HOH397 |
| C | HOH398 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL B 125 |
| Chain | Residue |
| A | SER104 |
| B | GLU11 |
| B | ARG14 |
| B | HOH147 |
| B | HOH333 |
| site_id | BC7 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE A3P B 126 |
| Chain | Residue |
| C | GLY67 |
| C | MG120 |
| C | MG123 |
| C | A3P125 |
| C | HOH311 |
| C | HOH313 |
| C | HOH339 |
| B | ARG45 |
| B | ARG53 |
| B | ASN81 |
| B | ARG84 |
| B | GLY85 |
| B | LYS86 |
| B | PRO87 |
| B | ILE101 |
| B | SER102 |
| B | HIS103 |
| B | MG123 |
| B | CL124 |
| B | HOH162 |
| B | HOH228 |
| B | HOH286 |
| B | HOH309 |
| B | HOH310 |
| B | HOH312 |
| B | HOH341 |
| B | HOH381 |
| C | ASP8 |
| C | GLU58 |
| C | LYS62 |
| C | GLY65 |
| C | THR66 |
| site_id | BC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE A3P C 125 |
| Chain | Residue |
| B | LYS70 |
| B | GLU71 |
| B | A3P126 |
| B | HOH310 |
| B | HOH312 |
| C | ARG14 |
| C | MSE18 |
| C | ARG28 |
| C | MG123 |
| C | HOH287 |
| C | HOH288 |
| C | HOH291 |
| C | HOH292 |
| C | HOH304 |
| C | HOH311 |
| C | HOH315 |
| C | HOH316 |
| C | HOH317 |
| C | HOH318 |
| C | HOH339 |
| C | HOH399 |
| site_id | BC9 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE A3P B 127 |
| Chain | Residue |
| A | A3P124 |
| A | HOH329 |
| B | ARG14 |
| B | MSE18 |
| B | ARG28 |
| B | ARG84 |
| B | MG120 |
| B | HOH141 |
| B | HOH264 |
| B | HOH328 |
| B | HOH336 |
| B | HOH337 |
| B | HOH342 |
| B | HOH377 |
| B | HOH426 |
| C | LYS70 |
| C | GLU71 |
| C | HOH149 |
| site_id | CC1 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE A3P A 124 |
| Chain | Residue |
| A | ARG45 |
| A | ARG53 |
| A | ASN81 |
| A | ARG84 |
| A | GLY85 |
| A | LYS86 |
| A | PRO87 |
| A | ILE101 |
| A | SER102 |
| A | HIS103 |
| A | MG120 |
| A | HOH129 |
| A | HOH136 |
| A | HOH138 |
| A | HOH269 |
| A | HOH329 |
| A | HOH331 |
| A | HOH335 |
| A | HOH343 |
| A | HOH424 |
| B | ASP8 |
| B | GLU58 |
| B | LYS62 |
| B | GLY65 |
| B | THR66 |
| B | GLY67 |
| B | MG120 |
| B | MG121 |
| B | A3P127 |
| B | HOH328 |
| B | HOH334 |
| B | HOH336 |
| B | HOH337 |
| site_id | CC2 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE A3P C 126 |
| Chain | Residue |
| A | ASP8 |
| A | GLU58 |
| A | LYS62 |
| A | GLY65 |
| A | THR66 |
| A | GLY67 |
| A | MG121 |
| A | MG123 |
| A | A3P125 |
| A | HOH282 |
| A | HOH296 |
| A | HOH301 |
| A | HOH322 |
| C | ARG45 |
| C | ARG53 |
| C | ASN81 |
| C | ARG84 |
| C | GLY85 |
| C | LYS86 |
| C | PRO87 |
| C | ILE101 |
| C | SER102 |
| C | HIS103 |
| C | MG121 |
| C | HOH131 |
| C | HOH135 |
| C | HOH302 |
| C | HOH303 |
| C | HOH324 |
| C | HOH325 |
| C | HOH326 |
| C | HOH422 |
| site_id | CC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE A3P A 125 |
| Chain | Residue |
| A | ARG14 |
| A | ARG28 |
| A | LYS70 |
| A | GLU71 |
| A | MG123 |
| A | HOH194 |
| A | HOH279 |
| A | HOH282 |
| A | HOH283 |
| A | HOH294 |
| A | HOH295 |
| A | HOH296 |
| A | HOH297 |
| A | HOH298 |
| A | HOH301 |
| A | HOH321 |
| A | HOH383 |
| A | HOH388 |
| A | HOH404 |
| C | ARG84 |
| C | A3P126 |
| C | HOH303 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00101 |
| Chain | Residue | Details |
| A | ASP8 | |
| A | GLU58 | |
| B | ASP8 | |
| B | GLU58 | |
| C | ASP8 | |
| C | GLU58 |
